**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

arabidiol

Properties Image MNX_ID MNXM5062 reference chebi:62417 formula C30H52O2 global charge 0 mol weight 444.744 InChIKey KCSCTOANDBOIGV-ZFAZNOKVSA-N InChI InChI=1S/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1 SMILES CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C MNX internals InChI (mnx) InChI=1/C30H52O2/c1-21(2)11-9-12-22(3)13-10-18-30(8,32)25-15-14-24-28(6)20-17-26(31)27(4,5)23(28)16-19-29(24,25)7/h11,13,23-26,31-32H,9-10,12,14-20H2,1-8H3/b22-13+/t23-,24+,25+,26-,28-,29+,30+/m0/s1 SMILES (mnx) [C@@:1]12([CH3:17])[C@@H:2]([C:4]([CH3:15])([CH3:16])[C@H:6]([CH3:14])[CH2:5][CH2:3]1)[CH2:10][CH2:8][C@@:7]1([CH3:18])[C@@H:9]2[CH2:13][CH2:12][CH:11]1[C@:19]([CH2:20][CH2:21]/[CH:24]=[C:25](/[CH2:26][CH2:28]/[CH:29]=[C:30](/[OH:31])[OH:32])[CH3:27])([CH3:22])[CH3:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:62417 chebi:62417 KCSCTOANDBOIGV-ZFAZNOKVSA-N	arabidiol (13R)-malabarica-17,21-diene-3beta,14-diol (3R,3aR,5aR,7S,9aR,9bR)-3-[(2R,5E)-2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl]-3a,6,6,9a-tetramethyldodecahydro-1H-cyclopenta[a]naphthalen-7-ol
seed.compound:cpd21071 seedM:cpd21071 KCSCTOANDBOIGV-ZFAZNOKVSA-N	Arabidiol (13R, 14R, 17E)-malabarica-17,21-diene-3beta,14-diol (13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol arabidiol
kegg.compound:C19828 keggC:C19828 KCSCTOANDBOIGV-ZFAZNOKVSA-N	Arabidiol (13R,14R,17E)-Malabarica-17,21-diene-3beta,14-diol
metacyc.compound:CPD-10307 metacycM:CPD-10307 KCSCTOANDBOIGV-ZFAZNOKVSA-N	arabidiol (13R, 14R, 17E)-malabarica-17,21-diene-3beta,14-diol
keggC:M_C19828 seedM:M_cpd21071	secondary/obsolete/fantasy identifier